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20849-75-6 | Benzene, 1-(2-chloroethyl)-3-nitro-
CAS No: 20849-75-6 Catalog No: AG002JPX MDL No:
Product Description
Catalog Number:
AG002JPX
Chemical Name:
Benzene, 1-(2-chloroethyl)-3-nitro-
CAS Number:
20849-75-6
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
IUPAC Name:
1-(2-chloroethyl)-3-nitrobenzene
InChI:
InChI=1S/C8H8ClNO2/c9-5-4-7-2-1-3-8(6-7)10(11)12/h1-3,6H,4-5H2
InChI Key:
ZSWIJDPKSIILCL-UHFFFAOYSA-N
SMILES:
ClCCc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.024g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.607g/mol
Monoisotopic Mass:
185.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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